4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine

C20H16N4S3 — CID 139905758

IUPAC4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine
SMILESCSc1sccc1-c1csc(Nc2ccc(/N=N/c3ccccc3)cc2)n1
InChIInChI=1S/C20H16N4S3/c1-25-19-17(11-12-26-19)18-13-27-20(22-18)21-14-7-9-16(10-8-14)24-23-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)/b24-23+
InChIKeyIQTXSTFQWYHXFV-WCWDXBQESA-N
MW408.58 g/mol
LogP7.75
Rot. Bonds6

About 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine

4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine (PubChem CID 139905758) has the molecular formula C20H16N4S3 and a molecular weight of 408.58 g/mol. Its IUPAC name is 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine
PubChem CID139905758
Molecular FormulaC20H16N4S3
Molecular Weight408.58 g/mol
Exact Mass408.05
IUPAC Name4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine
SMILESCSc1sccc1-c1csc(Nc2ccc(/N=N/c3ccccc3)cc2)n1
InChIInChI=1S/C20H16N4S3/c1-25-19-17(11-12-26-19)18-13-27-20(22-18)21-14-7-9-16(10-8-14)24-23-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)/b24-23+
InChIKeyIQTXSTFQWYHXFV-WCWDXBQESA-N
XLogP7.75
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.58
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
methyl 4-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate;hydrobromide
CID 18536776
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 53338296
N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
CID 175982198
4-(2-methylphenyl)-N-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 135223031
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine (CID 139905758) is 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine is CSc1sccc1-c1csc(Nc2ccc(/N=N/c3ccccc3)cc2)n1.
What is the InChIKey of 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine?
The InChIKey is IQTXSTFQWYHXFV-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16N4S3/c1-25-19-17(11-12-26-19)18-13-27-20(22-18)21-14-7-9-16(10-8-14)24-23-15-5-3-2-4-6-15/h2-13H,1H3,(H,21,22)/b24-23+.
What are the key properties of 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine?
4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine has a molecular weight of 408.58 g/mol, XLogP of 7.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylthiophen-3-yl)-N-(4-phenyldiazenylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 139905758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).